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Name | SPIPETHIANE |
---|---|
Molecular formula | C20H23NS |
IUPAC name | 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] |
Molecular weight | 309.471 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 4.7 |
Synonyms | 1-benzylspiro[hexahydropyridine-4,2''-(3'',4''-dihydro-2''H-thiochromene)] CHEMBL39900 BDBM50064172 SCHEMBL16208831 |
Inchi Key | FPSFVONLLBIZFK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2 |
PubChem CID | 10380647 |
ChEMBL | CHEMBL39900 |
IUPHAR | N/A |
BindingDB | 50064172 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
84313 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
84314 | Alpha-1B adrenergic receptor | P15823 | Adra1b | Rattus norvegicus (Rat) | 515 |
84315 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
84311 | Muscarinic acetylcholine receptor M2 | P10980 | Chrm2 | Rattus norvegicus (Rat) | 466 |
84312 | Muscarinic acetylcholine receptor M3 | P08483 | Chrm3 | Rattus norvegicus (Rat) | 589 |
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